2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C16H25ClN2O2 — CID 119461053

IUPAC2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCC2CCCNC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-6-15(8-13(12)2)20-11-16(19)18-10-14-4-3-7-17-9-14;/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyVVZITRKLQQWBAV-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.22
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119461053) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119461053
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCc1ccc(OCC(=O)NCC2CCCNC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12-5-6-15(8-13(12)2)20-11-16(19)18-10-14-4-3-7-17-9-14;/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19);1H
InChIKeyVVZITRKLQQWBAV-UHFFFAOYSA-N
XLogP2.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462343
2-(4-ethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119460422
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862
2-(2,6-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119464381
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
4-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]benzamide
CID 119462303
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460626
N-(2-piperidin-3-ylethyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119555166
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
2-(4-chloro-3-methylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119461053) is 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cc1ccc(OCC(=O)NCC2CCCNC2)cc1C.Cl.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is VVZITRKLQQWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12-5-6-15(8-13(12)2)20-11-16(19)18-10-14-4-3-7-17-9-14;/h5-6,8,14,17H,3-4,7,9-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119461053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).